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CL 82198 hydrochloride

CAT: 0931-T41179Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T41179Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1188890-36-9
Target
MMP, Others
Related Pathways
Proteases/Proteasome, Others
Bioactivity
CL 82198 hydrochloride is a selective inhibitor of MMP-13 (89% inhibition at 10μg/mL) that displays no activity at MMP-1, MMP-9 or TACE. Inhibitsin vitroinvasion by the human pituitary adenoma cell line HP75. Rescues paclitaxel induced axon degradation and reduces associated neurotoxicity in zebrafish.
Smiles
Cl.O=C(NCCCCN1CCOCC1)c1cc2ccccc2o1
Molecular Formula
C17H23ClN2O3
Molecular Weight
338.83
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

CL 82198 hydrochloride
CAS Number1188890-36-9
PubChem CID16760373
IUPAC NameN-(4-morpholin-4-ylbutyl)-1-benzofuran-2-carboxamide;hydrochloride
Molecular FormulaC17H23ClN2O3
Molecular Weight338.8
Topological Polar Surface Area54.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity358
SMILES
C1COCCN1CCCCNC(=O)C2=CC3=CC=CC=C3O2.Cl
InChI
InChI=1S/C17H22N2O3.ClH/c20-17(16-13-14-5-1-2-6-15(14)22-16)18-7-3-4-8-19-9-11-21-12-10-19;/h1-2,5-6,13H,3-4,7-12H2,(H,18,20);1H
InChIKey
PIOACXKZWXHBRB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CL 82198 hydrochloride
CAS: 1188890-36-9
CID: 16760373
Formula: C17H23ClN2O3
MW: 338.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass338.1397203
Monoisotopic Mass338.1397203
Topological Polar Surface Area54.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity358
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-110046CL-82198 (hydrochloride)
2632/50CL 82198 hydrochloride
MBS3613869-01CL-82198

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